1-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)-3,4-dihydroquinolin-2-one

C25H30N2O2 — CID 155527298

IUPAC1-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCCN1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C25H30N2O2/c28-24-12-11-20-7-2-4-10-23(20)27(24)16-6-5-15-26-17-13-25(14-18-26)22-9-3-1-8-21(22)19-29-25/h1-4,7-10H,5-6,11-19H2
InChIKeyXBIRXZARTAHLFW-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.27
Rot. Bonds5

About 1-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)-3,4-dihydroquinolin-2-one

1-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)-3,4-dihydroquinolin-2-one (PubChem CID 155527298) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)-3,4-dihydroquinolin-2-one
PubChem CID155527298
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name1-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCCN1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C25H30N2O2/c28-24-12-11-20-7-2-4-10-23(20)27(24)16-6-5-15-26-17-13-25(14-18-26)22-9-3-1-8-21(22)19-29-25/h1-4,7-10H,5-6,11-19H2
InChIKeyXBIRXZARTAHLFW-UHFFFAOYSA-N
XLogP4.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)-3,4-dihydroquinolin-2-one (CID 155527298) is 1-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1CCCCN1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of 1-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)-3,4-dihydroquinolin-2-one?
The InChIKey is XBIRXZARTAHLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c28-24-12-11-20-7-2-4-10-23(20)27(24)16-6-5-15-26-17-13-25(14-18-26)22-9-3-1-8-21(22)19-29-25/h1-4,7-10H,5-6,11-19H2.
What are the key properties of 1-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)-3,4-dihydroquinolin-2-one?
1-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)-3,4-dihydroquinolin-2-one has a molecular weight of 390.53 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 155527298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).